CID 5283398

N-amyl arachidohoyl amine

Structural Information

Molecular Formula
C25H43NO
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCCC
InChI
InChI=1S/C25H43NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25(27)26-24-22-6-4-2/h9-10,12-13,15-16,18-19H,3-8,11,14,17,20-24H2,1-2H3,(H,26,27)/b10-9-,13-12-,16-15-,19-18-
InChIKey
LLSIFHDREVFSBI-SNPVRQPZSA-N
Compound name
(5Z,8Z,11Z,14Z)-N-pentylicosa-5,8,11,14-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

373.33447 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.34175 204.8
[M+Na]+ 396.32369 204.8
[M-H]- 372.32719 201.8
[M+NH4]+ 391.36829 216.9
[M+K]+ 412.29763 197.5
[M+H-H2O]+ 356.33173 196.8
[M+HCOO]- 418.33267 223.6
[M+CH3COO]- 432.34832 224.4
[M+Na-2H]- 394.30914 200.9
[M]+ 373.33392 209.4
[M]- 373.33502 209.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.